dimethyl 9,10-dihydro-1,4,5,6,7,8-hexaethylanthracene-2,3-dicarboxylate | 323584-53-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: dimethyl 9,10-dihydro-1,4,5,6,7,8-hexaethylanthracene-2,3-dicarboxylate
• 英文别名: 2,3-Dimethyl 1,4,5,6,7,8-hexaethyl-9,10-dihydro-2,3-anthracenedicarboxylate；dimethyl 1,4,5,6,7,8-hexaethyl-9,10-dihydroanthracene-2,3-dicarboxylate
• CAS: 323584-53-8
• 化学式: C₃₀H₄₀O₄
• 分子量: 464.645
• InChiKey: MYCBQBALZGHIOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl 9,10-dihydro-1,4,5,6,7,8-hexaethylanthracene-2,3-dicarboxylate 在 lithium aluminium tetrahydride 、 正丁基锂 、 二氯二茂锆 、 三溴化磷 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 四氢呋喃 、 正己烷 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 24.0h， 生成 dimethyl 1,4,5,7,8,9,10,13-octaethyl-13,14-dihydropentacene-2,3-dicarboxylate
  参考文献：
  名称：

  制备戊烯和萘并萘的同构方法

  摘要：

  多取代戊烯，例如1,2,3,4,6,8,9,10,11,13-十取代戊烯（I型），1,2,3,4,6,13六取代戊烯（I型） II），1,2,3,4-四取代戊烯（III型）和2,3-二取代戊烯（IV型），1,2,3,4,6,11-六取代萘并烷（V型）1通过同源法制备1,2,3,4-四取代萘并（2），2,3-二取代萘并（7）。同源方法涉及使用过渡金属，例如Zr和Rh，通过二炔和金属环戊二烯将邻苯二甲酸酯衍生物转化为两个扩环的邻苯二甲酸酯衍生物。为了形成III型和IV型的并五苯以及VII型的萘并，将三甲基甲硅烷基取代的二炔用于茂茂锆介导的环化反应。在环化之后消除三甲基甲硅烷基基团在戊烯或萘并蒽上提供未取代的位置。1,4,6,8,9,10,11,13-八乙基-2,3-双（甲氧基羰基）并五苯的结构（通过X射线分析确定9a）和8,9,10,11-四乙基-2,3-双（甲氧基羰基）-1,4,6,13-​

  DOI：

  10.1021/jo060923y
• 作为产物：
  描述：

  1,2-bis(bromomethyl)-3,4,5,6-tetraethylbenzene 在 dibutylbis(cyclopentadienyl)zirconium 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 dimethyl 9,10-dihydro-1,4,5,6,7,8-hexaethylanthracene-2,3-dicarboxylate
  参考文献：
  名称：

  同系化合成高度烷基取代的并四苯和并五苯衍生物的简单方法

  摘要：

  DOI：

  10.1021/ja003130g

文献信息

• Polyacene derivatives and production thereof
  申请人：——

  公开号：US20030116755A1

  公开（公告）日：2003-06-26

  The present invention relates to polyacene derivatives represented by general formula (I) below: 1 (wherein R 1 to R 10 , etc. each represents hydrogen atom, hydrocarbon group, or an alkoxy group; A 1 and A 2 are hydrogen atom, a halogen atom, a hydrocarbon group, an alkoxy group, cyano group, etc.; n is an integer of not less than 1; R 6 and R 7 may be linked to each other to form a ring); and a process for preparing the polyacene derivatives from polyhydro compounds as well as electrically conductive materials comprising the polyacene derivatives. According to the process for preparing the polyacene derivatives of the present invention, optional substituents can be introduced into any carbon atoms of the polyacene, and the number of aromatic rings can be increased.

  本发明涉及以下通式（I）所代表的聚芳烃衍生物：1（其中R1至R10等分别代表氢原子、烃基或烷氧基；A1和A2分别代表氢原子、卤素原子、烃基、烷氧基、氰基等；n为不小于1的整数；R6和R7可以连接在一起形成环）；以及从聚羟基化合物制备聚芳烃衍生物的方法，以及包括所述聚芳烃衍生物的电导材料。根据本发明的制备聚芳烃衍生物的方法，可以在聚芳烃的任何碳原子上引入可选取代基团，并且可以增加芳香环的数量。
• POLYACENE DERIVATIVES AND PRODUCTION THEREOF
  申请人：JAPAN SCIENCE AND TECHNOLOGY CORPORATION

  公开号：EP1262469A1

  公开（公告）日：2002-12-04

  The present invention relates to polyacene derivatives represented by general formula (I) below: (wherein R1 to R10, etc. each represents hydrogen atom, hydrocarbon group, or an alkoxy group; A1 and A2 are hydrogen atom, a halogen atom, a hydrocarbon group, an alkoxy group, cyano group, etc.; n is an integer of not less than 1; R6 and R7 may be linked to each other to form a ring); and a process for preparing the polyacene derivatives from polyhydro compounds as well as electrically conductive materials comprising the polyacene derivatives. According to the process for preparing the polyacene derivatives of the present invention, optional substituents can be introduced into any carbon atoms of the polyacene, and the number of aromatic rings can be increased.

  本发明涉及如下通式(I)所代表的聚乙炔衍生物： (其中R1至R10等各自代表氢原子、烃基或烷氧基；A1和A2为氢原子、卤素原子、烃基、烷氧基、氰基等；n为不小于1的整数；R6和R7可相互连接形成环）；以及从多氢化合物制备该聚乙炔衍生物的工艺和包含该聚乙炔衍生物的导电材料。根据本发明制备聚乙炔衍生物的工艺，可在聚乙炔的任意碳原子上引入任选取代基，并可增加芳香环的数量。
• ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR THIN FILM AND ORGANIC SEMICONDUCTOR DEVICE
  申请人：Ohe Takahiro

  公开号：US20090140241A1

  公开（公告）日：2009-06-04

  An organic semiconductor material is provided. The organic semiconductor material includes a polyacene derivative expressed by the following general formula (1): where each of R 1 to R 10 may be independently the same substituents or different substituents but all of R 1 , R 4 , R 5 , R 6 , R 9 and R 10 may never be hydrogen atoms at the same time, and where each of R 1 to R 10 is at least one kind of substituent selected from the group consisting of an aliphatic hydrocarbon group having a substituent and of which number of carbon atoms ranges of from 1 to 20, an aromatic hydrocarbon group having a substituent, a complex aromatic group having a substituent, a carboxyl group, a hydride, an ester group, a cyano group, a hydroxyl group, a halogen atom and a hydrogen atom. The organic semiconductor material can be dissolved into an organic solvent at low temperature (for example, room temperature) and is suitable for use with a coating process.
• US7901594B2
  申请人：——

  公开号：US7901594B2

  公开（公告）日：2011-03-08